1,2-Dichloroethane → HCID 178433385, compound
Reaction equation
[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH:16]1([CH2:21][CH:22]([C:23](=[O:24])[OH:25])[CH2:26][N:27]([O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH:36]=[O:37])[CH2:17][CH2:18][CH2:19][CH2:20]1.[F:1][c:2]1[c:3]([NH:14][NH2:15])[n:4][c:5]([CH3:13])[n:6][c:7]1[N:8]1[CH2:9][CH2:10][CH2:11][CH2:12]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH:38][n:39]1[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[F:1][c:2]1[c:3]([NH:14][NH:15][C:23]([CH:22]([CH2:21][CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[CH2:26][N:27]([O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH:36]=[O:37])=[O:24])[n:4][c:5]([CH3:13])[n:6][c:7]1[N:8]1[CH2:9][CH2:10][CH2:11][CH2:12]1Participants
6
Sources & evidence
- ORD record
- ord-60a45637e9c2418ea00892885e3c471e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…